HMDB0030466 RDKit 3D Goldinodox 120122 0 0 0 0 0 0 0 0999 V2000 7.6663 3.0528 3.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3201 4.0238 2.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6883 3.7795 1.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4468 2.4563 0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8257 2.2373 -0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6219 0.9202 -1.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6376 0.2601 -0.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7338 -1.0107 -0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0591 -0.9523 1.1528 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9241 -1.9085 -0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8039 -3.3437 -0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9593 -4.2435 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 -1.4184 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5362 -2.0892 -0.8418 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 -0.2288 -1.9538 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8908 0.2042 -2.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3431 -0.8976 -3.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -1.5898 -2.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -1.3507 -1.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3713 -2.0905 -1.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0314 -3.1774 -2.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5634 -1.8649 -0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4516 -3.0079 0.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0937 -2.7963 1.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9503 -1.6276 -0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -0.4094 -1.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0435 -1.5928 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2801 -1.3785 -0.3515 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8646 -0.2300 0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5606 0.5585 -0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8109 0.9471 -0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6337 0.5953 0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9313 0.9886 0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7039 0.6201 1.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0033 0.8935 1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5137 0.3607 3.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7618 1.5198 0.7676 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1106 1.6411 -0.3709 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0913 2.0714 0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5212 2.5458 -0.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8372 2.4803 -1.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.7853 3.1519 -0.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5842 3.2855 0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1533 2.8292 1.5573 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.9879 2.9575 2.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9347 2.2306 1.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6863 1.8655 2.8843 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7306 0.5307 0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2036 1.2847 1.9221 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8386 -0.6164 1.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3818 -1.0785 2.5127 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1033 -1.4898 0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 -1.9672 1.4901 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2119 -0.4643 0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3563 0.3940 1.0523 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9572 0.2488 -1.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0406 -0.6254 -2.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0180 1.3248 -1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5713 3.0013 3.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8485 3.3385 4.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1127 2.0506 3.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5080 5.0233 2.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1523 4.5668 0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9731 1.6683 1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2979 3.0478 -1.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3290 1.1813 -2.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3747 -1.6810 1.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4638 -1.9191 -1.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3326 -3.4079 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9456 -3.8203 -1.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5664 -4.2620 0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5470 -4.1621 -1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5113 -5.3183 -0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 0.3425 -2.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9716 1.1150 -2.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3422 0.4208 -1.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9439 -1.1109 -3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0008 -2.3887 -3.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6882 -0.5805 -0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9108 -3.8443 -2.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2606 -2.7586 -3.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7288 -3.8645 -1.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1781 -1.0291 0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1235 -2.3571 1.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5862 -2.1661 2.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 -3.8021 2.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -2.5218 -1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3964 0.3950 -1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8843 -0.1642 -2.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2559 -0.6693 -2.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0733 -2.6123 0.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5455 -0.5780 0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0118 0.8731 -1.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2410 1.5284 -1.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2679 0.0332 1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2415 1.5633 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1978 0.0424 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4653 -0.1727 2.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4514 1.1541 3.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7710 -0.4429 3.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0333 2.1774 -2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1138 3.5194 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5640 3.7527 0.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2152 1.9343 3.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8644 3.5658 2.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3744 3.4928 3.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2227 1.2078 0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 1.1108 2.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8116 -0.3145 1.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7478 -1.5182 3.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4027 -2.3146 -0.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1210 -2.4684 1.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1802 -1.0306 -0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1256 0.1256 1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1892 -1.6900 -2.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1883 -0.4840 -3.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9469 -0.3537 -3.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9913 0.8748 -1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7083 2.1184 -2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1619 1.7729 -0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 10 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 35 37 1 0 37 38 2 0 37 39 1 0 39 40 2 0 40 41 1 0 40 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 2 0 29 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 8 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 56 58 1 0 56 6 1 0 50 27 1 0 46 39 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 6 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 12 73 1 0 15 74 1 0 16 75 1 0 16 76 1 0 17 77 1 0 18 78 1 0 19 79 1 0 21 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 24 84 1 0 24 85 1 0 24 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 29 92 1 0 30 93 1 0 31 94 1 0 32 95 1 0 33 96 1 0 34 97 1 0 36 98 1 0 36 99 1 0 36100 1 0 41101 1 0 42102 1 0 43103 1 0 45104 1 0 45105 1 0 45106 1 0 48107 1 0 49108 1 0 50109 1 0 51110 1 0 52111 1 0 53112 1 0 54113 1 0 55114 1 0 57115 1 0 57116 1 0 57117 1 0 58118 1 0 58119 1 0 58120 1 0 M END